[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate

C14H14N2O4S2 — CID 135671994

IUPAC[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate
SMILESCC(=O)Nc1ccc(/C(C)=N/OS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H14N2O4S2/c1-10(13-8-9-14(21-13)15-11(2)17)16-20-22(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,15,17)/b16-10+
InChIKeyHOGLGJXALVKAOF-MHWRWJLKSA-N
MW338.41 g/mol
LogP2.84
Rot. Bonds5

About [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate

[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate (PubChem CID 135671994) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate.

Molecular Properties

Compound Name[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate
PubChem CID135671994
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate
SMILESCC(=O)Nc1ccc(/C(C)=N/OS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H14N2O4S2/c1-10(13-8-9-14(21-13)15-11(2)17)16-20-22(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,15,17)/b16-10+
InChIKeyHOGLGJXALVKAOF-MHWRWJLKSA-N
XLogP2.84
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-thiophen-2-ylethylideneamino) benzenesulfonate
CID 87078851
(1-phenylethylideneamino) benzenesulfonate
CID 86155707
(4-oxohexan-2-ylideneamino) benzenesulfonate
CID 173378651
[(E)-[(6E)-4,6-bis(benzenesulfonyloxyimino)heptan-2-ylidene]amino] benzenesulfonate
CID 87328764
(3-oxopentan-2-ylideneamino) benzenesulfonate
CID 173378620
[(E)-3-oxohexan-2-ylideneamino] benzenesulfonate
CID 88531734
[1-(3-cyano-1-methylpyrrol-2-yl)ethylideneamino] benzenesulfonate
CID 140887393
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
CID 87966251
CID 87966251
N-(5-methylsulfonylthiophen-2-yl)acetamide
CID 21340923
nitroso benzenesulfonate
CID 88672539
benzenesulfonic acid;N-methylacetamide
CID 174615410

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate?
The IUPAC name of [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate (CID 135671994) is [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate.
What is the SMILES notation for [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate?
The canonical SMILES for [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate is CC(=O)Nc1ccc(/C(C)=N/OS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate?
The InChIKey is HOGLGJXALVKAOF-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-10(13-8-9-14(21-13)15-11(2)17)16-20-22(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,15,17)/b16-10+.
What are the key properties of [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate?
[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate has a molecular weight of 338.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate is sourced from PubChem (CID 135671994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).